Molecule ID: mol9422
SMILES: CC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C5H8N2O6/c1-5(6(10)11,7(12)13)3-2-4(8)9/h2-3H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | IUPAC digitized pKa | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |